CAS
898793-48-1 Purity
96%
898793-48-1 Purity
96%
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3-(2,4-Dimethylphenyl)propiophenone
CAS
898793-51-6
Catalog Number
ACM898793516
Category
Other Products
Molecular Weight
238.32
Molecular Formula
C17H18O
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Specification
Synonyms
3-(2,4-DIMETHYLPHENYL)PROPIOPHENONE
IUPAC Name
3-(2,4-dimethylphenyl)-1-phenylpropan-1-one
Canonical SMILES
CC1=CC(=C(C=C1)CCC(=O)C2=CC=CC=C2)C
InChI Key
VPEAIEHPQUJBMF-UHFFFAOYSA-N
Boiling Point
385.6ºC at 760 mmHg
Flash Point
167.6ºC
Density
1.032g/cm³
Exact Mass
238.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound 3-(2,4-Dimethylphenyl)propiophenone?
The molecular formula is C17H18O.
When was the compound first created and modified?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of 3-(2,4-Dimethylphenyl)propiophenone?
The IUPAC name is 3-(2,4-dimethylphenyl)-1-phenylpropan-1-one.
What is the InChIKey of the compound?
The InChIKey is VPEAIEHPQUJBMF-UHFFFAOYSA-N.
How many hydrogen bond acceptors are present in 3-(2,4-Dimethylphenyl)propiophenone?
There is 1 hydrogen bond acceptor.
What is the exact mass of the compound?
The exact mass is 238.135765193 g/mol.
How many rotatable bond counts are there in 3-(2,4-Dimethylphenyl)propiophenone?
There are 4 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 17.1 Å^2.
Is 3-(2,4-Dimethylphenyl)propiophenone a canonicalized compound?
Yes, it is a canonicalized compound.
How many heavy atoms are present in the compound?
There are 18 heavy atoms.
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